N-(tert-Butoxycarbonyl)-N'-methylethylenediamine

C₈H₁₈N₂O₂CAS 122734-32-1174.24 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₈H₁₈N₂O₂
Molar mass: 174.24 g/mol
Exact mass: 174.1368 Da
logP: 0.73Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed25% of notifiers
H315 Causes skin irritation75% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

122734-32-1

SMILES

CC(C)(C)OC(=O)NCCNC

InChIKey

GKWGBMHXVRSFRT-UHFFFAOYSA-N

InChI

InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-5-9-4/h9H,5-6H2,1-4H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

tert-Butyl 2-(methylamino)ethylcarbamate

Work with N-(tert-Butoxycarbonyl)-N'-methylethylenediamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,7-Bis-boc-1,4,7-triazaheptane117499-16-872 % similar tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-263 % similar tert-Butyl N-(2-bromoethyl)carbamate39684-80-563 % similar N-(tert-Butoxycarbonyl)-2-aminoethanethiol67385-09-563 % similar (2-Piperidin-4-yl-ethyl)-carbamic acid tert-butyl ester165528-81-459 % similar 3-(Boc-amino)-1-propanol58885-58-859 % similar tert-Butyl N-(3-bromopropyl)carbamate83948-53-259 % similar 1-(2-N-Boc-aminoethyl)piperazine140447-78-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Boc-N-methylethylenediamine121492-06-6 1,4-Piperazinediethanol122-96-3 1-[2-(2-Hydroxyethoxy)ethyl]piperazine13349-82-1 tert-Butyl N-[(2S)-1-aminopropan-2-yl]carbamate146552-71-8 1,1-Dimethylethyl 2-(1-methylethyl)hydrazinecarboxylate16689-35-3 tert-Butyl (3-aminopropyl)carbamate75178-96-0

Elsewhere

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